1-ethylquinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethylquinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-ethylquinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-ethylquinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-ethylquinolin-1-ium tosylate Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC2=CC=CC=C21.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=CC2=CC=CC=C21.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H12N.C7H8O3S/c1-2-12-9-5-7-10-6-3-4-8-11(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h3-9H,2H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1